Geometry & MOs

Info

ID:

423286

PubChem CID:

135119235

Reduced:

ClNO3C18H24 (1)

Stoich.:

ABC3D18E24 (1)

Weight, g/mol:

507.248169

ΔHf, kcal/mol:

-109.38

Dipole, Da:

2.15

IP(EA), eV:

 -8.72(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(25S,27R)-7,19-dimethoxy-27-methyl-9,17-dioxa-1,12,13,14,24-pentazapentacyclo[23.2.2.111,14.118,22.03,8]hentriaconta-3(8),4,6,11(31),12,18,20,22(30)-octaen-23-one

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CC4=C(C=C3Cl)OCO4

DOS

IR

Vibrations